(16α)-21-{4-[3,6-Bis(Diethylamino)-2-Pyridinyl]-1-Piperazinyl}-16-Methylpregna-1,4,9(11)-Triene-3,20-Dione

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Formula C39H42N5O2
IUPAC Name (8s,10s,13s,14s,16r,17s)-17-[2-[4-[3,6-bis(diethylamino)pyridin-2-yl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 612.783 g·mol−1
Heat of Formation -178.9 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 821.31 Å 3
Surface Area 629.53 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-[3,6-bis(diethylamino)-2-pyridyl]-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-[3,6-bis(diethylamino)-2-pyridyl]piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-[3,6-bis(diethylamino)pyridin-2-yl]piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • 21-(4(3,6-di-n-diethylamine-2-pyridinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)-triene-3,20-dione
  • ddppmptd
CAS Number(s)
  • 111640-85-8
InChIKey AURBBRTXTSQWSZ-NLJYJMBESA-N
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